CID 2816721

Isothiazolo(5,4-b)pyridin-3(2h)-one, 2-benzoyl-4,6-dimethyl-

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C15H12N2O2S/c1-9-8-10(2)16-13-12(9)15(19)17(20-13)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
ZXZJYJODWMTSCV-UHFFFAOYSA-N
Compound name
2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.06195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.069226 162.5
[M+Na]+ 307.051168 175.5
[M-H]- 283.054674 169.5
[M+NH4]+ 302.095773 179.9
[M+K]+ 323.025108 170.1
[M+H-H2O]+ 267.059210 155.3
[M+HCOO]- 329.060151 180.9
[M+CH3COO]- 343.075801 175.9
[M+Na-2H]- 305.036616 164.5
[M]+ 284.06140142 168.9
[M]- 284.06249858 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe